Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.40 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3370579 | 0.90 | MAPT (0.48) | NPSR1ALDH1A1MAPTCA2POLB | |
| SCHEMBL3367393 | 0.87 | MAPT (0.51) | NPSR1MAPK1ALDH1A1MAPTCA2 | |
| SCHEMBL3367330 | 0.81 | SMN1; SMN2 (0.49) | ALDH1A1MAPTCA2USP2TSHR | |
| SCHEMBL6178012 | 0.81 | CYP3A4 (0.62) | MAPK1ALDH1A1MAPTPOLBUSP2 | |
| SCHEMBL3370573 | 0.76 | MAPT (0.55) | NPSR1MAPTPOLBTP53LMNA | |
| SCHEMBL3364395 | 0.74 | ALDH1A1 (0.49) | NPSR1MAPK1ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL6068971 | 0.73 | HTT (0.51) | MAPK1ALDH1A1MAPTPOLBUSP2 | |
| SCHEMBL6178979 | 0.72 | PSEN1 (0.57) | NPSR1ALDH1A1POLBUSP2ADRB2 | |
| SCHEMBL3369442 | 0.72 | ALDH1A1 (0.44) | NPSR1MAPK1ALDH1A1MAPTPOLB | |
| SCHEMBL6069077 | 0.72 | ALDH1A1 (0.44) | NPSR1MAPK1ALDH1A1HCRTR1HCRTR2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1532141-B1 | 2-PYRROLIDIN-2-YL- [1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS | GRUENENTHAL GMBH (DE) | 2010-10-13 | — | — | EP | disclosed |